1-phenylsulfanylpiperidine

C11H15NS — CID 11344551

IUPAC1-phenylsulfanylpiperidine
SMILESc1ccc(SN2CCCCC2)cc1
InChIInChI=1S/C11H15NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyROYZPZFDZZICLE-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.18
Rot. Bonds2

About 1-phenylsulfanylpiperidine

1-phenylsulfanylpiperidine (PubChem CID 11344551) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name1-phenylsulfanylpiperidine
PubChem CID11344551
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name1-phenylsulfanylpiperidine
SMILESc1ccc(SN2CCCCC2)cc1
InChIInChI=1S/C11H15NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyROYZPZFDZZICLE-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylpiperidine?
The IUPAC name of 1-phenylsulfanylpiperidine (CID 11344551) is 1-phenylsulfanylpiperidine.
What is the SMILES notation for 1-phenylsulfanylpiperidine?
The canonical SMILES for 1-phenylsulfanylpiperidine is c1ccc(SN2CCCCC2)cc1.
What is the InChIKey of 1-phenylsulfanylpiperidine?
The InChIKey is ROYZPZFDZZICLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 1-phenylsulfanylpiperidine?
1-phenylsulfanylpiperidine has a molecular weight of 193.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylpiperidine is sourced from PubChem (CID 11344551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).